{"id":"https://openalex.org/W2015207658","doi":"https://doi.org/10.1021/jp0102419","title":"An Efficient Brownian Dynamics Method for Evaluating Inertial Dynamic Effects on Diffusion-Influenced Reactions","display_name":"An Efficient Brownian Dynamics Method for Evaluating Inertial Dynamic Effects on Diffusion-Influenced Reactions","publication_year":2001,"publication_date":"2001-06-01","ids":{"openalex":"https://openalex.org/W2015207658","doi":"https://doi.org/10.1021/jp0102419","mag":"2015207658"},"language":"en","primary_location":{"id":"doi:10.1021/jp0102419","doi":"https://doi.org/10.1021/jp0102419","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp0102419","pdf_url":null,"source":{"id":"https://openalex.org/S185621672","display_name":"The Journal of Physical Chemistry B","issn_l":"1520-5207","issn":["1520-5207","1520-6106"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry B","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5066213233","display_name":"Seongeun Yang","orcid":"https://orcid.org/0009-0008-2039-9916","observed_orcids":["https://orcid.org/0009-0008-2039-9916"]},"institutions":[{"id":"https://openalex.org/I139264467","display_name":"Seoul National University","ror":"https://ror.org/04h9pn542","country_code":"KR","type":"education","lineage":["https://openalex.org/I139264467"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Seongeun Yang","raw_affiliation_strings":["School of Chemistry and Molecular Engineering, and Center for Molecular Catalysis, Seoul National University, Seoul 151-747, South Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemistry and Molecular Engineering, and Center for Molecular Catalysis, Seoul National University, Seoul 151-747, South Korea","institution_ids":["https://openalex.org/I139264467"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054392245","display_name":"Heekyung Han","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I139264467","display_name":"Seoul National University","ror":"https://ror.org/04h9pn542","country_code":"KR","type":"education","lineage":["https://openalex.org/I139264467"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Heekyung Han","raw_affiliation_strings":["School of Chemistry and Molecular Engineering, and Center for Molecular Catalysis, Seoul National University, Seoul 151-747, South Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemistry and Molecular Engineering, and Center for Molecular Catalysis, Seoul National University, Seoul 151-747, South Korea","institution_ids":["https://openalex.org/I139264467"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5037371099","display_name":"Sangyoub Lee","orcid":"https://orcid.org/0000-0003-0577-3195","observed_orcids":["https://orcid.org/0000-0003-0577-3195"]},"institutions":[{"id":"https://openalex.org/I139264467","display_name":"Seoul National University","ror":"https://ror.org/04h9pn542","country_code":"KR","type":"education","lineage":["https://openalex.org/I139264467"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Sangyoub Lee","raw_affiliation_strings":["School of Chemistry and Molecular Engineering, and Center for Molecular Catalysis, Seoul National University, Seoul 151-747, South Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemistry and Molecular Engineering, and Center for Molecular Catalysis, Seoul National University, Seoul 151-747, South Korea","institution_ids":["https://openalex.org/I139264467"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I139264467"],"apc_list":null,"apc_paid":null,"fwci":0.6463,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.55219521,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"105","issue":"25","first_page":"6017","last_page":"6024"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.875,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.875,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13187","display_name":"Diffusion and Search Dynamics","score":0.07509999722242355,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10288","display_name":"Fractional Differential Equations Solutions","score":0.007899999618530273,"subfield":{"id":"https://openalex.org/subfields/2611","display_name":"Modeling and Simulation"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/brownian-dynamics","display_name":"Brownian dynamics","score":0.9279999732971191},{"id":"https://openalex.org/keywords/inertial-dynamics","display_name":"inertial dynamics","score":0.7350000143051147},{"id":"https://openalex.org/keywords/diffusion-influenced-reactions","display_name":"diffusion-influenced reactions","score":0.9620000123977661},{"id":"https://openalex.org/keywords/reaction-kinetics","display_name":"reaction kinetics","score":0.7590000033378601},{"id":"https://openalex.org/keywords/rate-constants","display_name":"rate constants","score":0.7960000038146973},{"id":"https://openalex.org/keywords/center-of-mass-motion","display_name":"center-of-mass motion","score":0.6899999976158142},{"id":"https://openalex.org/keywords/relative-motion","display_name":"relative motion","score":0.6919999718666077},{"id":"https://openalex.org/keywords/intrinsic-rate-constant","display_name":"intrinsic rate constant","score":0.6140000224113464}],"concepts":[{"id":"https://openalex.org/C173386949","wikidata":"https://www.wikidata.org/wiki/Q192735","display_name":"Inertial frame of reference","level":2,"score":0.7667900919914246},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.6496198773384094},{"id":"https://openalex.org/C130603088","wikidata":"https://www.wikidata.org/wiki/Q4976526","display_name":"Brownian dynamics","level":3,"score":0.6297712326049805},{"id":"https://openalex.org/C112401455","wikidata":"https://www.wikidata.org/wiki/Q178036","display_name":"Brownian motion","level":2,"score":0.5941576361656189},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5876561403274536},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.5796924829483032},{"id":"https://openalex.org/C2777027219","wikidata":"https://www.wikidata.org/wiki/Q1284190","display_name":"Constant (computer programming)","level":2,"score":0.4703305661678314},{"id":"https://openalex.org/C134121241","wikidata":"https://www.wikidata.org/wiki/Q899301","display_name":"Yield (engineering)","level":2,"score":0.4494735896587372},{"id":"https://openalex.org/C57879066","wikidata":"https://www.wikidata.org/wiki/Q41217","display_name":"Mechanics","level":1,"score":0.41490140557289124},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.34938186407089233},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.32806551456451416},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.32526683807373047},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.30658137798309326},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.3055461645126343},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.19323062896728516},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.12433856725692749},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/jp0102419","doi":"https://doi.org/10.1021/jp0102419","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp0102419","pdf_url":null,"source":{"id":"https://openalex.org/S185621672","display_name":"The Journal of Physical Chemistry B","issn_l":"1520-5207","issn":["1520-5207","1520-6106"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry B","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":24,"referenced_works":["https://openalex.org/W1585598658","https://openalex.org/W1987616212","https://openalex.org/W1994497181","https://openalex.org/W1998351648","https://openalex.org/W2002243459","https://openalex.org/W2002632444","https://openalex.org/W2011091403","https://openalex.org/W2013910123","https://openalex.org/W2015875593","https://openalex.org/W2039589809","https://openalex.org/W2041358009","https://openalex.org/W2046602697","https://openalex.org/W2054045522","https://openalex.org/W2056762672","https://openalex.org/W2074151147","https://openalex.org/W2081910077","https://openalex.org/W2092379936","https://openalex.org/W2100061021","https://openalex.org/W2110116160","https://openalex.org/W2114849571","https://openalex.org/W2162488624","https://openalex.org/W2175900701","https://openalex.org/W2315200889","https://openalex.org/W4234347480"],"related_works":["https://openalex.org/W2002632444","https://openalex.org/W1965825504","https://openalex.org/W1989732138","https://openalex.org/W2051007481","https://openalex.org/W2027223180","https://openalex.org/W2042909743","https://openalex.org/W2023906708","https://openalex.org/W1991277311","https://openalex.org/W2039924429","https://openalex.org/W1990478517"],"abstract_inverted_index":{"We":[0],"present":[1,41],"a":[2,28],"very":[3],"efficient":[4],"Brownian":[5],"dynamics":[6],"(BD)":[7],"method":[8,19,43],"for":[9,59],"evaluating":[10],"inertial":[11,77],"dynamic":[12,78],"effects":[13],"on":[14],"diffusion-influenced":[15],"reaction":[16],"kinetics.":[17],"The":[18],"requires":[20,47],"only":[21,48],"about":[22],"10":[23],"000":[24],"trajectories":[25],"to":[26,54],"yield":[27],"reliable":[29],"estimate":[30],"of":[31,39,51,62,93],"the":[32,40,56,63,69,75,84,87,90],"time-dependent":[33],"rate":[34,57,65],"coefficient.":[35],"Another":[36],"key":[37],"advantage":[38],"BD":[42,52],"is":[44,95],"that":[45,74,80],"it":[46],"one":[49],"set":[50],"simulations":[53],"calculate":[55],"coefficient":[58],"any":[60],"value":[61],"intrinsic":[64],"constant.":[66],"By":[67],"using":[68],"proposed":[70],"method,":[71],"we":[72],"show":[73],"subtle":[76],"effect":[79],"may":[81],"arise":[82],"from":[83],"coupling":[85],"between":[86],"center-of-mass":[88],"and":[89],"relative":[91],"motions":[92],"reactants":[94],"negligible.":[96]},"counts_by_year":[{"year":2023,"cited_by_count":3},{"year":2021,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}
